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4′-(甲硫基)苯乙酮
4′-(Methylthio)acetophenone
产品价格查看更多规格...
| 产品编号 | 包装单位 | 单价(元) | 国内现货 | 国外库存 | 询价单 |
| 3300825 | 1 G | 304 |
产品别名
1778-09-2
4′-(甲硫基)苯乙酮
4′-(Methylthio)acetophenone
结构式
基本信息
| Linear Formula【线性分子式】 | CH3SC6H4COCH3 |
| Molecular weight | 166.24 |
| EC number【EC 号】 | 217-213-1 |
| MDL number | MFCD00039835 |
| PubChem Substance ID【PubChem化学物质编号】 | 24864677 |
| NACRES | NA.22 |
| General description【一般描述】 | 4′-(Methylthio)acetophenone (4-(Methylthio)acetophenone, p-(methylthio) acetophenone, 4-MTAP) is a sulphur containing organic building block. It is a key intermediate in drug synthesis. Its industrial preparation, via Friedel-Crafts acylation reaction in the presence of aluminium chloride as catalyst and acetyl chloride as acylating agent has been reported. It has been prepared by the acetylation reaction of thioanisole with acetic anhydride in the presence of solid acid catalyst. |
| Application【应用】 | 4′-(Methylthio)acetophenone may be used for the synthesis of Vioxx (Rofecoxib), an non-steroidal anti-inflammatory drug (NSAID). It may be used in the synthesis of (E)-1-[4-(methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one. |
产品性质
| Quality Level【质量水平】 | 100 |
| Assay【测定】 | 97% |
| mp | 80-82 ℃ (lit.) |
| SMILES string | CSc1ccc(cc1)C(C)=O |
| InChI | 1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3 |
| InChI key | JECUZQLBQKNEMW-UHFFFAOYSA-N |
| packaging【包装】 | 1 g in glass bottle |
安全信息
| Pictograms【象形图】 | GHS07 |
| Signal word【警示用语：】 | Warning |
| Hazard Statements | H315 - H319 - H335 |
| Precautionary Statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Classifications【危险分类】 | Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3 |
| Target Organs【靶器官】 | Respiratory system |
| Storage Class Code【储存分类代码】 | 11 - Combustible Solids |
| WGK | WGK 3 |
| Personal Protective Equipment【个人防护装备】 | dust mask type N95 (US), Eyeshields, Gloves |
